1-[(E)-but-1-en-3-ynyl]naphthalene

C14H10 — CID 12516867

IUPAC1-[(E)-but-1-en-3-ynyl]naphthalene
SMILESC#C/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H10/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h1,3-11H/b7-3+
InChIKeyVWJWVFMOAGPGQE-XVNBXDOJSA-N
MW178.23 g/mol
LogP3.49
Rot. Bonds1

About 1-[(E)-but-1-en-3-ynyl]naphthalene

1-[(E)-but-1-en-3-ynyl]naphthalene (PubChem CID 12516867) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[(E)-but-1-en-3-ynyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-but-1-en-3-ynyl]naphthalene
PubChem CID12516867
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Name1-[(E)-but-1-en-3-ynyl]naphthalene
SMILESC#C/C=C/c1cccc2ccccc12
InChIInChI=1S/C14H10/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h1,3-11H/b7-3+
InChIKeyVWJWVFMOAGPGQE-XVNBXDOJSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-pent-1-en-4-ynylnaphthalene
CID 175469906
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-naphthalen-1-ylethenamine
CID 69243468
1-(2-bromoethenyl)naphthalene
CID 71403351
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
1-but-1-en-3-ynyl-2-fluorobenzene
CID 123247882
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
1-[(Z)-2-bromobut-1-en-3-ynyl]naphthalene
CID 101059606
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 139703260
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
(Z)-N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 163840781

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-en-3-ynyl]naphthalene?
The IUPAC name of 1-[(E)-but-1-en-3-ynyl]naphthalene (CID 12516867) is 1-[(E)-but-1-en-3-ynyl]naphthalene.
What is the SMILES notation for 1-[(E)-but-1-en-3-ynyl]naphthalene?
The canonical SMILES for 1-[(E)-but-1-en-3-ynyl]naphthalene is C#C/C=C/c1cccc2ccccc12.
What is the InChIKey of 1-[(E)-but-1-en-3-ynyl]naphthalene?
The InChIKey is VWJWVFMOAGPGQE-XVNBXDOJSA-N. The full InChI is InChI=1S/C14H10/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h1,3-11H/b7-3+.
What are the key properties of 1-[(E)-but-1-en-3-ynyl]naphthalene?
1-[(E)-but-1-en-3-ynyl]naphthalene has a molecular weight of 178.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-en-3-ynyl]naphthalene is sourced from PubChem (CID 12516867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).